Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028894
PROPERTIES
| NPAID | NPA028894 |
|---|---|
| CLUSTER ID | 415 |
| NODE ID | 374 |
| NAME | Anabaenopeptin SA11 |
| FORMULA | C45H58ClN7O10 |
| MOLECULAR WEIGHT (Da) | 892.4510 |
| ACCURATE MASS (Da) | 891.3934 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Nostoc |
| ORIGIN SPECIES | sp. |
| InChIKey | UXQIEZUCKOUNCO-ADGXWODGSA-N |
| InChI | InChI=1S/C45H58ClN7O10/c1-4-27(2)39-42(59)49-35(21-15-28-13-18-31(54)19-14-28)43(60)53(3)26-38(56)48-34(20-16-30-17-22-37(55)32(46)24-30)40(57)47-23-9-8-12-33(41(58)52-39)50-45(63)51-36(44(61)62)25-29-10-6-5-7-11-29/h5-7,10-11,13-14,17-19,22,24,27,33-36,39,54-55H,4,8-9,12,15-16,20-21,23,25-26H2,1-3H3,(H,47,57)(H,48,56)(H,49,59)(H,52,58)(H,61,62)(H2,50,51,63)/t27-,33-,34+,35+,36+,39?/m1/s1 |
| SMILES | CC[C@@H](C)C1NC(=O)[C@H](NC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)CCCCNC(=O)[C@H](CCC2=CC(Cl)=C(O)C=C2)NC(=O)CN(C)C(=O)[C@H](CCC2=CC=C(O)C=C2)NC1=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Schreuder H; Liesum A; Lönze P; Stump H; Hoffmann H; Schiell M; Kurz M; Toti L; Bauer A; Kallus C; Klemke-Jahn C; Czech J; Kramer D; Enke H; Niedermeyer THJ; Morrison V; Kumar V; Brönstrup M Isolation, Co-Crystallization and Structure-Based Characterization of Anabaenopeptins as Highly Potent Inhibitors of Activated Thrombin Activatable Fibrinolysis Inhibitor (TAFIa). Scientific Reports 2016 6 32958. | ||
|---|---|---|---|
| DOI | 10.1038/srep32958 | PMID | 27604544 |
